Abstract

The computation of rotational energy transfer in nonreactive molecular collisions requires expanding the orientation dependence of the interaction potential over an appropriate complete set of orthonormal functions. We show that the use of random grids for the sampling of the angular geometries combined with the Monte Carlo theorem allows to estimate the mean accuracy on each expansion term determined by a least squares fit. The interest of our approach is illustrated by an application to the H2O–H2 system, of great astrophysical interest.

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